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  5. Band gap modulation of Janus graphene nanosheets by interlayer hydrogen bonding:semiconductor-metal

Band gap modulation of Janus graphene nanosheets by interlayer hydrogen bonding:semiconductor-metal

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：m2564
【摘 要】
：
In this work,density functional theory calculations with van de Waals corrections revealed the existence of considerable C-H …F-C hydrogen bonding interactions between hydrofluorinated graphene(HGF) m
【作 者】
：
F.Li Y F.Li 
【机 构】
：
College of Chemistry and Materials Science,Jiangsu Key Laboratory of Biofunctional Materials,Nanjing
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
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论文部分内容阅读
In this work,density functional theory calculations with van de Waals corrections revealed the existence of considerable C-H …F-C hydrogen bonding interactions between hydrofluorinated graphene(HGF) monolayers,which have Janus-like geometrics.
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